CID 5289076

Oxiranpseudoglucose

Structural Information

Molecular Formula
C7H12O5
SMILES
C1[C@@H]([C@H]([C@@H]([C@]2([C@@H]1O2)CO)O)O)O
InChI
InChI=1S/C7H12O5/c8-2-7-4(12-7)1-3(9)5(10)6(7)11/h3-6,8-11H,1-2H2/t3-,4+,5+,6-,7+/m0/s1
InChIKey
BDIDRHMZXLEMIZ-CXNFULCWSA-N
Compound name
(1S,2S,3R,4S,6R)-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06847 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07575 133.2
[M+Na]+ 199.05769 143.2
[M-H]- 175.06119 134.7
[M+NH4]+ 194.10229 148.2
[M+K]+ 215.03163 141.2
[M+H-H2O]+ 159.06573 129.9
[M+HCOO]- 221.06667 147.5
[M+CH3COO]- 235.08232 174.0
[M+Na-2H]- 197.04314 140.3
[M]+ 176.06792 134.9
[M]- 176.06902 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.